SCHEMBL5260732

SCHEMBL5260732

Brc1cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1.C1CN2CCC12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.55
TBK1 Q9UHD2 10/20 0.53
IKBKE Q14164 4/20 0.51
CHEK2 O96017 2/20 0.50
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
CDK2 P24941 1/20 0.45
AURKB Q96GD4 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4837368 0.95 HRH3 (0.52) ACHETBK1IKBKECHEK2HRH3
SCHEMBL4844287 0.93 ACHE (0.62) ACHETBK1IKBKECHEK2ADORA3
SCHEMBL4844406 0.92 ACHE (0.61) ACHETBK1IKBKECHEK2ADORA3
SCHEMBL4834824 0.88 CHEK2 (0.56) ACHETBK1IKBKECHEK2HRH3
Trifluoroacetic Acid SCHEMBL5260784 0.88 CHEK2 (0.47) ACHETBK1IKBKECHEK2CDK2
SCHEMBL4845667 0.87 CHEK2 (0.55) ACHETBK1IKBKECHEK2HRH3
SCHEMBL6270456 0.86 TBK1 (0.46) ACHETBK1IKBKECHEK2CDK2
SCHEMBL4840409 0.86 ACHE (0.48) ACHETBK1IKBKECHEK2HRH3
SCHEMBL4845601 0.84 ACHE (0.48) ACHETBK1IKBKECHEK2ADORA3
SCHEMBL4838294 0.84 TBK1 (0.48) ACHETBK1IKBKECHEK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP claimed